1.0 2016-09-30 22:35:09 UTC 2020-04-22 15:04:52 UTC BMDB0000701 BMDB00701 Hexanoylglycine Caproylglycine N-(1-Oxohexyl)glycine N-Caproylglycine N-Hexanoyl-glycine N-Hexanoylglycine Hexanoylglycine C8H15NO3 173.2096 173.105193351 2-hexanamidoacetic acid hexanoylglycine 24003-67-6 CCCCCC(=O)NCC(O)=O InChI=1S/C8H15NO3/c1-2-3-4-5-7(10)9-6-8(11)12/h2-6H2,1H3,(H,9,10)(H,11,12) UPCKIPHSXMXJOX-UHFFFAOYSA-N belongs to the class of organic compounds known as n-acyl-alpha amino acids. N-acyl-alpha amino acids are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues N-acyl-alpha amino acids Carbonyl compounds Carboximidic acids Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Propargyl-type 1,3-dipolar organic compounds Aliphatic acyclic compound Carbonyl group Carboximidic acid Carboximidic acid derivative Carboxylic acid Hydrocarbon derivative Monocarboxylic acid or derivatives N-acyl-alpha-amino acid Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Propargyl-type 1,3-dipolar organic compound Aliphatic acyclic compounds N-acylglycine Solid logp 0.90 ALOGPS logs -1.68 ALOGPS logp 0.71 ChemAxon pka_strongest_acidic 4.25 ChemAxon pka_strongest_basic -1.7 ChemAxon iupac 2-hexanamidoacetic acid ChemAxon average_mass 173.2096 ChemAxon mono_mass 173.105193351 ChemAxon smiles CCCCCC(=O)NCC(O)=O ChemAxon formula C8H15NO3 ChemAxon inchi InChI=1S/C8H15NO3/c1-2-3-4-5-7(10)9-6-8(11)12/h2-6H2,1H3,(H,9,10)(H,11,12) ChemAxon inchikey UPCKIPHSXMXJOX-UHFFFAOYSA-N ChemAxon polar_surface_area 66.4 ChemAxon refractivity 43.88 ChemAxon polarizability 18.75 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::NmrTwoD 1433 Specdb::MsIr 757 Specdb::MsIr 758 Specdb::MsIr 759 Specdb::CMs 25378 Specdb::CMs 37704 Specdb::CMs 146391 Specdb::CMs 1072531 Specdb::CMs 1072533 Specdb::CMs 1072535 Specdb::MsMs 978 Specdb::MsMs 979 Specdb::MsMs 980 Specdb::MsMs 322195 Specdb::MsMs 322196 Specdb::MsMs 322197 Specdb::MsMs 370048 Specdb::MsMs 370049 Specdb::MsMs 370050 Specdb::MsMs 2252946 Specdb::MsMs 2253500 Specdb::MsMs 2256928 Specdb::MsMs 2257646 Specdb::MsMs 2258969 Specdb::MsMs 2259625 Specdb::MsMs 2353048 Specdb::MsMs 2353049 Specdb::MsMs 2353050 Specdb::MsMs 2585656 Specdb::MsMs 2585657 Specdb::MsMs 2585658 Specdb::NmrOneD 1487 Specdb::NmrOneD 144970 Specdb::NmrOneD 144971 Specdb::NmrOneD 144972 Specdb::NmrOneD 144973 Specdb::NmrOneD 144974 Specdb::NmrOneD 144975 Specdb::NmrOneD 144976 Specdb::NmrOneD 144977 Specdb::NmrOneD 144978 Specdb::NmrOneD 144979 Specdb::NmrOneD 144980 Specdb::NmrOneD 144981 Specdb::NmrOneD 144982 Specdb::NmrOneD 144983 Specdb::NmrOneD 144984 Specdb::NmrOneD 144985 Specdb::NmrOneD 144986 Specdb::NmrOneD 144987 Specdb::NmrOneD 144988 Specdb::NmrOneD 144989 FDB022190 89859 64390 99463 5669 Toth, Eugene; Weiss, Benjamine; Banay-Schwartz, Miriam; Lajtha, Abel. Effect of glycine derivatives on behavioral changes induced by 3-mercaptopropionic acid or phencyclidine in mice. Research Communications in Psychology, Psychiatry and Behavior (1986), 11(1), 1-9.